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3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

  • CAS No. 1029439-02-8

  • Cat. No. CS-0089479
  • Purity≥97%
  • MDL No.MFCD16994421

*For research and further manufacturing use only, not for direct human use.

3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol|CS-0089479

Structure of 1029439-02-8

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General Information

  • CAS No. 1029439-02-8
  • Cat. No. CS-0089479
  • Purity ≥97%
  • MDL No. MFCD16994421
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆BFO₃
  • Molecular Weight 238.06
  • Synonym(s) 2-FLUORO-4-HYDROXYPHENYLBORONIC ACID, PINACOL ESTER
  • SMILES CC(O1)(C)C(C)(C)OB1C2=C(F)C=C(O)C=C2

Description

3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol features a boronate ester group conjugated to a fluorinated phenolic scaffold, enabling efficient Suzuki-Miyaura coupling under mild conditions. This bench-stable reagent integrates seamlessly into complex molecule synthesis, offering high functional group tolerance and predictable reaction outcomes in biopharmaceutical and materials applications.

Application

3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol serves as a versatile boron-containing building block in Suzuki-Miyaura cross-coupling reactions. The pinacol boronate group enables stable, bench-ready handling and high functional group tolerance. It facilitates efficient C–C bond formation with aryl halides and pseudohalides, making it particularly valuable for constructing substituted biaryls and heterocyclic scaffolds in medicinal chemistry and materials science applications.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   38.69
  • LogP   1.8305
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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